Molecule Editor

Molecule ID: FYI-1014411 Edit

Molecule Structure InChIKey: FKMUTKKNAQPPQL-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc(NNc1ccccc1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014411
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014411-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    0.0099    1.0608   -0.6844 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0774    0.4707   -1.1999 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    0.5002    0.4074 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2302    2.4958    0.2638 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7712   -1.5101    0.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.4088   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417    0.1421   -0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250    1.0911    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155   -0.9686   -0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085   -1.6125   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3395   -0.4130   -1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    0.3723    0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619   -0.8398    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4911   -0.7378   -0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    0.0475    1.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5447   -0.5075    0.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    2.0592   -0.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842    0.2959   -2.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856   -1.5686   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957   -2.6872   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3104   -0.5976   -2.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573    0.8031    1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3459   -1.1700   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4889    0.2266    2.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4412   -0.7604    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568    3.0170   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573    2.9588    0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241   -2.4783    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5364   -0.9423    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$